1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H30N2O2 — CID 3236032

IUPAC1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-9-11-17(12-10-16)14-22-21(25)18-13-20(24)23(15-18)19-7-5-3-2-4-6-8-19/h9-12,18-19H,2-8,13-15H2,1H3,(H,22,25)
InChIKeyZCGNSJKNKMUCEE-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.57
Rot. Bonds4

About 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3236032) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3236032
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-9-11-17(12-10-16)14-22-21(25)18-13-20(24)23(15-18)19-7-5-3-2-4-6-8-19/h9-12,18-19H,2-8,13-15H2,1H3,(H,22,25)
InChIKeyZCGNSJKNKMUCEE-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 3236032) is 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1.
What is the InChIKey of 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZCGNSJKNKMUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-9-11-17(12-10-16)14-22-21(25)18-13-20(24)23(15-18)19-7-5-3-2-4-6-8-19/h9-12,18-19H,2-8,13-15H2,1H3,(H,22,25).
What are the key properties of 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3236032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).